#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhc n GLY 3 N 0.00 3.88 3.83 5.14 0.00 -1.26 -4.94 105.19 111.85 3hhc n GLY 3 Ca 0.00 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 3hhc n GLY 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hhc n HIS 5 N -2.36 -0.81 -0.22 0.00 -0.00 -1.26 -4.99 115.22 105.59 3hhc n HIS 5 Ca 0.07 -3.15 0.31 0.00 -0.00 0.00 0.00 57.72 54.95 3hhc n HIS 5 Cb 0.54 0.30 0.70 0.00 -0.00 0.00 0.00 29.99 31.53 3hhc n HIS 5 CO 0.00 0.00 0.00 -0.84 -0.00 0.00 0.00 176.34 175.50 3hhc h ILE 6 N 1.80 0.31 0.00 1.59 3.07 -1.96 0.15 117.51 122.47 3hhc h ILE 6 Ca 0.01 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.42 3hhc h ILE 6 Cb 1.04 0.38 0.00 0.00 -0.27 0.00 0.00 36.82 37.97 3hhc h ILE 6 CO 0.36 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.46 3hhc n ALA 7 N -2.58 1.19 0.13 0.16 0.00 -1.26 -1.12 120.51 117.04 3hhc n ALA 7 Ca 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.64 3hhc n ALA 7 Cb 1.17 -1.03 0.14 0.00 0.00 0.00 0.00 19.45 19.73 3hhc n ALA 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 3hhc h GLN 8 N 0.00 0.00 0.00 0.00 3.07 -1.06 -3.12 115.11 114.00 3hhc h GLN 8 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3hhc h GLN 8 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.59 3hhc h GLN 8 CO 0.00 0.64 -0.08 1.19 0.09 0.00 0.00 178.83 180.66 3hhc n PHE 9 N -3.63 0.73 0.28 0.06 0.99 -0.27 -2.78 117.46 112.84 3hhc n PHE 9 Ca -0.01 0.21 0.12 0.00 -0.00 0.00 0.00 57.45 57.78 3hhc n PHE 9 Cb 0.66 -0.83 0.78 0.00 -1.00 0.00 0.00 39.48 39.10 3hhc n PHE 9 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.76 177.63 3hhc h LYS 10 N 0.00 0.00 0.00 -1.08 1.57 -1.65 -3.28 116.57 112.13 3hhc h LYS 10 Ca 0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 3hhc h LYS 10 Cb 0.70 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.95 3hhc h LYS 10 CO 0.00 0.04 -2.30 0.43 -0.57 0.00 0.00 179.45 177.05 3hhc n SER 11 N -4.00 1.71 0.00 0.86 7.64 -1.12 -4.84 113.62 113.87 3hhc n SER 11 Ca -0.03 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.76 3hhc n SER 11 Cb 0.13 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 3hhc n SER 11 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3hhc n LEU 12 N -3.03 0.00 -3.64 -3.43 -0.00 -1.18 -4.91 117.00 100.81 3hhc n LEU 12 Ca -0.38 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.60 3hhc n LEU 12 Cb 0.98 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 44.36 3hhc n LEU 12 CO 0.28 0.00 1.11 -0.94 -0.00 0.00 0.00 177.39 177.83 3hhc s SER 13 N -4.00 -0.08 0.39 1.96 1.04 -1.26 -5.00 113.70 106.75 3hhc s SER 13 Ca 0.00 0.10 0.17 0.00 0.48 0.00 0.00 55.95 56.69 3hhc s SER 13 Cb 0.00 0.08 1.05 0.00 0.10 0.00 0.00 66.02 67.25 3hhc s SER 13 CO 0.00 -0.07 1.78 -0.65 0.98 0.00 0.00 173.24 175.28 3hhc h PRO 14 N 2.23 0.43 0.23 4.02 0.11 -1.99 0.51 132.00 137.55 3hhc h PRO 14 Ca -0.11 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 3hhc h PRO 14 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3hhc h PRO 14 CO 0.23 0.29 -0.11 1.96 -0.21 0.00 0.00 178.00 180.15 3hhc h GLN 15 N 0.44 -0.30 0.31 1.05 7.50 -2.00 -2.21 115.11 119.91 3hhc h GLN 15 Ca 0.58 0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.73 3hhc h GLN 15 Cb 1.38 0.07 0.00 0.00 0.05 0.00 0.00 27.48 28.98 3hhc h GLN 15 CO -0.30 0.04 -0.16 0.93 -1.50 0.00 0.00 178.83 177.84 3hhc h GLU 16 N -0.67 -0.42 -0.67 1.46 5.08 -1.76 -2.11 114.58 115.49 3hhc h GLU 16 Ca -0.03 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.50 3hhc h GLU 16 Cb 0.47 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 29.69 3hhc h GLU 16 CO 0.05 -0.28 -0.11 -0.07 -1.00 0.00 0.00 179.01 177.61 3hhc h LEU 17 N -0.43 -0.51 -0.17 1.33 3.38 -0.98 0.67 115.31 118.59 3hhc h LEU 17 Ca -0.04 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3hhc h LEU 17 Cb 0.34 0.38 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3hhc h LEU 17 CO 0.06 -0.20 0.06 -0.61 0.09 0.00 0.00 178.44 177.84 3hhc h GLN 18 N 0.04 0.27 -0.08 1.13 5.75 -1.27 -0.03 115.11 120.92 3hhc h GLN 18 Ca 0.34 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.78 3hhc h GLN 18 Cb 0.54 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.05 3hhc h GLN 18 CO -0.66 0.37 0.03 0.00 -2.65 0.00 0.00 178.83 175.92 3hhc h ALA 19 N 0.89 1.91 -0.11 3.38 0.00 -0.57 -0.82 119.26 123.94 3hhc h ALA 19 Ca 0.06 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 3hhc h ALA 19 Cb 0.21 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3hhc h ALA 19 CO -0.00 0.08 -0.81 0.74 0.00 0.00 0.00 179.25 179.26 3hhc h PHE 20 N 0.11 1.02 -0.44 0.00 -1.00 -0.55 -3.02 116.94 113.06 3hhc h PHE 20 Ca 0.03 -0.48 0.03 0.00 2.81 0.00 0.00 57.97 60.36 3hhc h PHE 20 Cb 0.02 -0.15 -0.04 0.00 3.61 0.00 0.00 35.95 39.40 3hhc h PHE 20 CO 0.00 1.31 0.23 -0.22 -1.61 0.00 0.00 178.31 178.01 3hhc h LYS 21 N 0.44 0.44 -0.90 1.51 3.64 0.25 0.46 116.57 122.41 3hhc h LYS 21 Ca -0.07 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.37 3hhc h LYS 21 Cb 1.45 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 33.10 3hhc h LYS 21 CO 0.16 0.29 0.55 0.00 -2.27 0.00 0.00 179.45 178.19 3hhc h ARG 22 N 0.46 0.92 -0.12 1.90 3.08 -1.27 0.52 114.38 119.87 3hhc h ARG 22 Ca 0.19 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3hhc h ARG 22 Cb 0.08 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3hhc h ARG 22 CO -0.12 0.61 0.07 0.00 -1.07 0.00 0.00 179.97 179.46 3hhc h ALA 23 N 1.46 0.15 -0.29 0.04 0.00 -1.15 -0.76 119.26 118.71 3hhc h ALA 23 Ca 0.42 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 3hhc h ALA 23 Cb 0.30 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hhc h ALA 23 CO -0.22 -0.35 0.10 -0.22 0.00 0.00 0.00 179.25 178.57 3hhc h LYS 24 N 0.14 0.44 -0.92 0.00 3.64 0.01 0.84 116.57 120.73 3hhc h LYS 24 Ca 0.04 -0.09 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 3hhc h LYS 24 Cb 0.01 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.71 3hhc h LYS 24 CO -0.01 0.49 0.60 -0.44 -2.27 0.00 0.00 179.45 177.82 3hhc h ASP 25 N 0.31 0.97 -0.10 4.20 3.32 0.10 0.31 116.42 125.52 3hhc h ASP 25 Ca 0.09 -0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.91 3hhc h ASP 25 Cb 0.23 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.58 3hhc h ASP 25 CO -0.00 0.64 -0.85 0.00 -1.72 0.00 0.00 179.24 177.31 3hhc h ALA 26 N 1.48 0.24 0.53 3.45 0.00 -0.90 -2.54 119.26 121.52 3hhc h ALA 26 Ca 0.38 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3hhc h ALA 26 Cb 0.10 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.90 3hhc h ALA 26 CO -0.13 0.67 -0.25 -0.07 0.00 0.00 0.00 179.25 179.46 3hhc h LEU 27 N 0.48 -0.60 -0.97 0.00 3.38 -0.35 0.25 115.31 117.50 3hhc h LEU 27 Ca -0.08 -0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.04 3hhc h LEU 27 Cb 1.49 0.16 -0.10 0.00 0.09 0.00 0.00 40.66 42.30 3hhc h LEU 27 CO 0.17 -0.38 0.58 -0.33 0.09 0.00 0.00 178.44 178.57 3hhc h GLU 28 N -0.78 0.77 0.00 1.13 5.08 -1.05 0.46 114.58 120.19 3hhc h GLU 28 Ca -0.07 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 3hhc h GLU 28 Cb 0.58 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 3hhc h GLU 28 CO 0.12 0.51 -0.13 1.49 -1.00 0.00 0.00 179.01 180.00 3hhc h GLU 29 N 0.79 0.00 0.00 2.33 4.57 -1.06 -2.06 114.58 119.15 3hhc h GLU 29 Ca 0.53 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.71 3hhc h GLU 29 Cb 0.73 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 3hhc h GLU 29 CO -0.35 0.13 -0.64 0.45 -1.18 0.00 0.00 179.01 177.42 3hhc n SER 30 N -3.37 0.61 0.06 1.04 2.88 0.14 -3.94 113.62 111.04 3hhc n SER 30 Ca -0.01 -0.38 0.04 0.00 -1.33 0.00 0.00 58.87 57.20 3hhc n SER 30 Cb 0.32 0.43 -0.05 0.00 -0.75 0.00 0.00 64.21 64.16 3hhc n SER 30 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3hhc h LEU 31 N 0.00 0.00 -1.42 2.46 3.38 -0.15 -3.38 115.31 116.20 3hhc h LEU 31 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3hhc h LEU 31 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3hhc h LEU 31 CO 0.00 0.36 -0.20 -0.07 0.09 0.00 0.00 178.44 178.62 3hhc h LEU 32 N 0.00 0.13 -6.21 1.67 3.38 -1.62 -3.27 115.31 109.38 3hhc h LEU 32 Ca -0.10 -0.03 -0.76 0.00 0.09 0.00 0.00 57.88 57.08 3hhc h LEU 32 Cb 1.36 -0.03 -0.16 0.00 0.09 0.00 0.00 40.66 41.91 3hhc h LEU 32 CO 0.03 0.34 1.97 0.00 0.09 0.00 0.00 178.44 180.87 3hhc n LEU 33 N -4.25 7.14 -0.91 1.67 -0.00 -1.26 -4.95 117.00 114.45 3hhc n LEU 33 Ca -0.01 -4.83 0.11 0.00 -0.00 0.00 0.00 56.01 51.28 3hhc n LEU 33 Cb 0.29 -1.40 -0.06 0.00 -0.00 0.00 0.00 43.42 42.26 3hhc n LEU 33 CO 0.38 1.68 -0.37 0.29 -0.00 0.00 0.00 177.39 179.37 3hhc n LYS 34 N 2.67 -2.06 -0.60 1.47 5.02 -1.23 -5.09 118.16 118.33 3hhc n LYS 34 Ca 0.46 1.65 0.00 0.00 -2.02 0.00 0.00 58.31 58.40 3hhc n LYS 34 Cb 0.31 -2.42 0.00 0.00 -0.02 0.00 0.00 35.03 32.90 3hhc n LYS 34 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3hhc n ASP 35 N -3.52 1.06 -4.62 4.39 9.92 -1.26 -4.74 116.55 117.77 3hhc n ASP 35 Ca -0.05 -0.39 -0.34 0.00 -0.53 0.00 0.00 54.79 53.48 3hhc n ASP 35 Cb 0.43 0.00 0.12 0.00 -0.64 0.00 0.00 41.12 41.03 3hhc n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hhc s LYS 37 N -3.89 2.18 0.32 0.00 -0.14 -1.26 -4.52 119.74 112.43 3hhc s LYS 37 Ca 0.70 -0.87 0.00 0.00 -1.36 0.00 0.00 55.97 54.44 3hhc s LYS 37 Cb -0.29 -1.99 0.00 0.00 -1.68 0.00 0.00 37.83 33.88 3hhc s LYS 37 CO 0.54 0.46 0.00 0.00 -0.76 0.00 0.00 175.35 175.59 3hhc n ARG 39 N -2.54 0.00 -4.01 0.00 0.63 -1.26 -5.03 116.66 104.44 3hhc n ARG 39 Ca 0.01 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.83 3hhc n ARG 39 Cb 0.34 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.21 3hhc n ARG 39 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3hhc s SER 40 N 0.00 0.25 -0.20 6.15 0.01 -1.26 -5.16 113.70 113.49 3hhc s SER 40 Ca 0.00 -1.14 -0.01 0.00 1.31 0.00 0.00 55.95 56.10 3hhc s SER 40 Cb 0.00 0.63 0.01 0.00 0.21 0.00 0.00 66.02 66.87 3hhc s SER 40 CO 0.00 -1.24 -0.12 -0.13 0.41 0.00 0.00 173.24 172.16 3hhc s ARG 41 N -3.53 3.19 0.12 12.44 0.52 -1.26 -4.99 118.95 125.43 3hhc s ARG 41 Ca 0.25 -0.73 -0.05 0.00 -0.52 0.00 0.00 55.73 54.68 3hhc s ARG 41 Cb -0.01 -2.78 -0.12 0.00 0.52 0.00 0.00 34.95 32.56 3hhc s ARG 41 CO 0.13 -0.19 1.28 -0.07 0.02 0.00 0.00 175.30 176.46 3hhc h LEU 42 N 7.99 0.53 -6.40 2.53 3.38 -1.99 -3.40 115.31 117.96 3hhc h LEU 42 Ca -0.43 -0.45 -0.59 0.00 0.09 0.00 0.00 57.88 56.50 3hhc h LEU 42 Cb 1.15 -0.16 -0.40 0.00 0.09 0.00 0.00 40.66 41.34 3hhc h LEU 42 CO 0.62 1.26 -0.88 0.49 0.09 0.00 0.00 178.44 180.02 3hhc n PHE 43 N -3.72 0.67 -2.10 1.13 3.01 -1.26 -5.01 117.46 110.17 3hhc n PHE 43 Ca -0.07 -3.69 -0.41 0.00 1.01 0.00 0.00 57.45 54.29 3hhc n PHE 43 Cb 0.86 -0.18 -0.02 0.00 -0.01 0.00 0.00 39.48 40.13 3hhc n PHE 43 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 3hhc s PRO 44 N -0.90 4.33 0.00 -1.08 0.02 -1.26 -4.88 135.00 131.22 3hhc s PRO 44 Ca 0.33 2.21 0.09 0.00 0.02 0.00 0.00 61.00 63.65 3hhc s PRO 44 Cb 0.07 -3.13 0.55 0.00 0.02 0.00 0.00 34.50 32.02 3hhc s PRO 44 CO -0.15 -0.31 1.05 0.54 -0.33 0.00 0.00 177.00 177.80 3hhc n ARG 45 N 2.05 0.59 0.01 5.54 5.12 -1.26 -2.18 116.66 126.54 3hhc n ARG 45 Ca 0.05 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 56.02 3hhc n ARG 45 Cb 0.41 -1.24 -0.11 0.00 -1.16 0.00 0.00 32.46 30.36 3hhc n ARG 45 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3hhc n THR 46 N -0.74 0.64 -4.00 0.55 -2.24 -1.26 -4.94 114.28 102.29 3hhc n THR 46 Ca 0.07 -0.61 -0.21 0.00 -2.27 0.00 0.00 64.05 61.02 3hhc n THR 46 Cb 0.03 -0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 67.90 3hhc n THR 46 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3hhc s TRP 47 N -3.18 3.14 -0.14 4.78 -0.00 -0.92 -5.13 118.94 117.48 3hhc s TRP 47 Ca -0.05 -0.13 -0.29 0.00 -0.00 0.00 0.00 56.10 55.63 3hhc s TRP 47 Cb 0.10 -1.53 0.08 0.00 -0.00 0.00 0.00 33.47 32.12 3hhc s TRP 47 CO 0.85 0.42 0.75 0.34 -0.00 0.00 0.00 176.95 179.31 3hhc s ASP 48 N -3.91 -0.64 0.57 5.86 2.15 -1.26 -4.84 116.67 114.59 3hhc s ASP 48 Ca 0.35 0.91 0.27 0.00 0.43 0.00 0.00 52.55 54.51 3hhc s ASP 48 Cb -0.08 0.81 1.54 0.00 -0.30 0.00 0.00 42.92 44.89 3hhc s ASP 48 CO 0.26 -0.44 2.05 -0.07 -0.17 0.00 0.00 175.17 176.80 3hhc h LEU 49 N 3.62 0.00 0.00 -1.34 4.07 -1.98 -0.64 115.31 119.05 3hhc h LEU 49 Ca -0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.69 3hhc h LEU 49 Cb 1.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.89 3hhc h LEU 49 CO 0.26 0.00 0.00 0.54 -1.08 0.00 0.00 178.44 178.16 3hhc n ARG 50 N -3.98 0.28 0.02 1.13 1.74 -1.26 -2.50 116.66 112.09 3hhc n ARG 50 Ca 0.04 0.11 -0.19 0.00 -0.77 0.00 0.00 57.85 57.04 3hhc n ARG 50 Cb 0.42 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.26 3hhc n ARG 50 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3hhc h GLN 51 N 0.00 0.62 -7.57 5.56 4.20 -1.53 -3.46 115.11 112.93 3hhc h GLN 51 Ca 0.00 -0.65 -0.45 0.00 0.06 0.00 0.00 58.65 57.60 3hhc h GLN 51 Cb 0.11 0.18 0.14 0.00 0.30 0.00 0.00 27.48 28.21 3hhc h GLN 51 CO 0.00 1.26 0.32 -0.51 -0.67 0.00 0.00 178.83 179.22 3hhc s LEU 52 N -8.21 2.04 0.48 1.46 1.43 -1.04 -5.05 118.68 109.80 3hhc s LEU 52 Ca -0.11 0.73 -0.18 0.00 -1.03 0.00 0.00 54.13 53.54 3hhc s LEU 52 Cb 0.06 -2.93 -0.09 0.00 0.03 0.00 0.00 46.19 43.26 3hhc s LEU 52 CO 0.89 -2.74 0.97 -1.10 0.23 0.00 0.00 176.35 174.60 3hhc s GLN 53 N -5.48 4.05 0.29 1.70 -0.21 -1.26 -4.90 119.66 113.85 3hhc s GLN 53 Ca 0.67 1.02 0.04 0.00 0.02 0.00 0.00 55.36 57.10 3hhc s GLN 53 Cb -0.11 -2.15 0.70 0.00 1.00 0.00 0.00 33.01 32.45 3hhc s GLN 53 CO 0.53 -0.19 1.73 -0.39 -2.12 0.00 0.00 175.29 174.85 3hhc h VAL 54 N 1.27 0.58 0.00 1.09 -1.51 -1.94 0.65 116.25 116.39 3hhc h VAL 54 Ca -0.48 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 3hhc h VAL 54 Cb 1.18 -0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 3hhc h VAL 54 CO 0.61 0.10 0.00 0.08 -1.23 0.00 0.00 177.57 177.13 3hhc h ARG 55 N 0.54 0.00 0.00 5.19 -0.00 -1.99 -3.02 114.38 115.10 3hhc h ARG 55 Ca 0.55 0.00 -0.14 0.00 -0.00 0.00 0.00 59.98 60.40 3hhc h ARG 55 Cb 0.96 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.90 3hhc h ARG 55 CO -0.46 0.00 -2.12 0.39 -0.00 0.00 0.00 179.97 177.79 3hhc n GLU 56 N -2.71 0.69 -0.26 0.08 -0.58 0.19 -4.48 120.64 113.57 3hhc n GLU 56 Ca -0.00 -0.13 0.09 0.00 -0.42 0.00 0.00 57.16 56.71 3hhc n GLU 56 Cb 0.19 -1.51 0.34 0.00 -0.57 0.00 0.00 31.44 29.89 3hhc n GLU 56 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hhc h ARG 57 N 0.00 0.75 -0.25 3.49 3.08 -1.35 -2.58 114.38 117.52 3hhc h ARG 57 Ca -0.20 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 59.85 3hhc h ARG 57 Cb 1.44 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 31.28 3hhc h ARG 57 CO 0.01 0.50 -0.01 -1.35 -1.07 0.00 0.00 179.97 178.04 3hhc h PRO 58 N 0.77 0.06 -0.32 0.04 0.11 -1.79 -1.06 132.00 129.82 3hhc h PRO 58 Ca 0.42 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.49 3hhc h PRO 58 Cb 0.55 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 3hhc h PRO 58 CO -0.18 0.04 0.06 0.28 -0.21 0.00 0.00 178.00 177.99 3hhc h VAL 59 N 0.06 1.16 -0.07 3.15 2.07 -1.75 0.19 116.25 121.06 3hhc h VAL 59 Ca 0.12 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3hhc h VAL 59 Cb 0.16 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3hhc h VAL 59 CO -0.22 0.21 -0.03 0.00 0.02 0.00 0.00 177.57 177.55 3hhc h ALA 60 N 1.61 0.10 -0.03 1.67 0.00 -1.38 -1.74 119.26 119.49 3hhc h ALA 60 Ca 0.11 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3hhc h ALA 60 Cb 0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3hhc h ALA 60 CO -0.00 -0.15 -0.13 1.25 0.00 0.00 0.00 179.25 180.22 3hhc h LEU 61 N -0.22 -0.38 -0.27 0.00 6.46 -0.75 0.82 115.31 120.97 3hhc h LEU 61 Ca 0.02 0.06 0.06 0.00 -0.12 0.00 0.00 57.88 57.90 3hhc h LEU 61 Cb 0.46 0.17 -0.06 0.00 -0.73 0.00 0.00 40.66 40.50 3hhc h LEU 61 CO 0.01 -0.18 -0.10 -0.33 -0.62 0.00 0.00 178.44 177.23 3hhc h GLU 62 N -0.20 -0.04 -0.06 1.25 5.08 -0.99 0.59 114.58 120.21 3hhc h GLU 62 Ca 0.06 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3hhc h GLU 62 Cb 0.28 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 3hhc h GLU 62 CO -0.15 -0.03 -0.24 0.00 -1.00 0.00 0.00 179.01 177.60 3hhc h ALA 63 N 1.21 -0.27 -0.47 3.43 0.00 -1.03 0.54 119.26 122.66 3hhc h ALA 63 Ca 0.14 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.16 3hhc h ALA 63 Cb 0.25 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 18.38 3hhc h ALA 63 CO -0.31 -0.72 -0.22 1.49 0.00 0.00 0.00 179.25 179.49 3hhc h GLU 64 N -0.34 -0.12 -0.07 0.00 4.81 0.05 -0.81 114.58 118.11 3hhc h GLU 64 Ca 0.08 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.34 3hhc h GLU 64 Cb 0.45 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 3hhc h GLU 64 CO -0.25 -0.08 -0.04 -0.07 -0.73 0.00 0.00 179.01 177.84 3hhc h LEU 65 N -0.12 -0.14 -0.76 1.64 3.38 0.11 -1.43 115.31 117.98 3hhc h LEU 65 Ca 0.22 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.32 3hhc h LEU 65 Cb 0.47 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 3hhc h LEU 65 CO -0.55 -0.06 0.40 0.00 0.09 0.00 0.00 178.44 178.32 3hhc h ALA 66 N 1.02 1.07 0.32 1.53 0.00 0.80 0.39 119.26 124.39 3hhc h ALA 66 Ca 0.04 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3hhc h ALA 66 Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hhc h ALA 66 CO -0.10 -0.00 -0.15 1.25 0.00 0.00 0.00 179.25 180.24 3hhc h LEU 67 N 0.67 -0.36 -2.25 0.00 6.46 -0.91 0.53 115.31 119.44 3hhc h LEU 67 Ca 0.38 -0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.97 3hhc h LEU 67 Cb 0.39 0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.42 3hhc h LEU 67 CO -0.27 -0.03 -0.05 0.00 -0.62 0.00 0.00 178.44 177.47 3hhc h THR 68 N -0.74 0.35 0.05 1.05 1.03 -0.93 -0.51 112.91 113.21 3hhc h THR 68 Ca -0.04 -0.28 -0.23 0.00 -0.01 0.00 0.00 66.41 65.84 3hhc h THR 68 Cb 0.50 1.20 0.02 0.00 -1.07 0.00 0.00 68.15 68.80 3hhc h THR 68 CO 0.07 0.05 -0.95 0.25 -0.01 0.00 0.00 175.52 174.93 3hhc h LEU 69 N 0.00 0.75 -0.23 0.00 5.85 -0.07 -2.98 115.31 118.64 3hhc h LEU 69 Ca -0.00 -0.79 -0.01 0.00 0.84 0.00 0.00 57.88 57.92 3hhc h LEU 69 Cb 0.20 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3hhc h LEU 69 CO 0.01 1.45 0.11 0.50 -0.34 0.00 0.00 178.44 180.17 3hhc h LYS 70 N 0.13 0.33 -0.29 1.25 3.64 0.54 -2.48 116.57 119.69 3hhc h LYS 70 Ca -0.13 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.10 3hhc h LYS 70 Cb 1.64 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.40 3hhc h LYS 70 CO 0.18 0.34 -0.21 0.28 -2.27 0.00 0.00 179.45 177.78 3hhc h VAL 71 N 0.23 1.30 0.00 2.00 2.07 -1.28 -2.20 116.25 118.38 3hhc h VAL 71 Ca 0.08 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.26 3hhc h VAL 71 Cb 0.12 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3hhc h VAL 71 CO -0.01 0.43 0.00 -0.07 0.02 0.00 0.00 177.57 177.94 3hhc h LEU 72 N 0.40 0.00 0.16 2.57 3.38 -1.54 -0.64 115.31 119.63 3hhc h LEU 72 Ca 0.06 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.74 3hhc h LEU 72 Cb 0.75 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.53 3hhc h LEU 72 CO 0.06 0.00 -1.22 -0.33 0.09 0.00 0.00 178.44 177.03 3hhc h GLU 73 N 0.00 0.55 -0.91 1.13 5.08 -1.19 -1.30 114.58 117.93 3hhc h GLU 73 Ca 0.00 -0.80 -0.00 0.00 -1.00 0.00 0.00 59.36 57.56 3hhc h GLU 73 Cb 0.39 0.28 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 3hhc h GLU 73 CO 0.00 1.37 0.56 0.00 -1.00 0.00 0.00 179.01 179.94 3hhc h ALA 74 N 0.22 1.27 -0.05 3.43 0.00 -0.73 -2.38 119.26 121.01 3hhc h ALA 74 Ca -0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3hhc h ALA 74 Cb 1.92 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 3hhc h ALA 74 CO 0.23 0.64 -0.08 1.15 0.00 0.00 0.00 179.25 181.18 3hhc h THR 75 N 1.25 1.40 -1.00 0.00 2.02 -1.19 -2.45 112.91 112.95 3hhc h THR 75 Ca 0.33 -1.34 0.20 0.00 0.77 0.00 0.00 66.41 66.38 3hhc h THR 75 Cb -0.07 2.17 -0.10 0.00 -1.74 0.00 0.00 68.15 68.41 3hhc h THR 75 CO -0.06 0.37 0.62 0.00 0.37 0.00 0.00 175.52 176.81 3hhc h ALA 76 N 0.50 1.80 0.07 6.16 0.00 -1.08 -0.54 119.26 126.17 3hhc h ALA 76 Ca 0.01 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hhc h ALA 76 Cb 0.63 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3hhc h ALA 76 CO 0.02 -0.17 -0.03 -0.44 0.00 0.00 0.00 179.25 178.62 3hhc h ASP 77 N 0.67 -0.08 0.18 0.00 5.19 -1.43 -3.30 116.42 117.66 3hhc h ASP 77 Ca 0.58 -0.48 -0.02 0.00 -0.62 0.00 0.00 57.03 56.49 3hhc h ASP 77 Cb 1.02 0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.55 3hhc h ASP 77 CO -0.36 0.47 -0.07 0.00 -3.12 0.00 0.00 179.24 176.16 3hhc h THR 78 N -0.67 0.64 -3.08 0.35 1.03 -0.81 -3.35 112.91 107.02 3hhc h THR 78 Ca -0.01 -0.30 -0.59 0.00 -0.01 0.00 0.00 66.41 65.50 3hhc h THR 78 Cb 0.55 1.19 -0.40 0.00 -1.07 0.00 0.00 68.15 68.42 3hhc h THR 78 CO 0.02 0.07 -0.76 -0.62 -0.01 0.00 0.00 175.52 174.22 3hhc s ASP 79 N -6.31 3.88 0.22 0.00 -1.08 -0.30 -5.01 116.67 108.08 3hhc s ASP 79 Ca -0.04 -1.94 -0.08 0.00 -0.52 0.00 0.00 52.55 49.97 3hhc s ASP 79 Cb 0.14 -0.90 0.29 0.00 -1.46 0.00 0.00 42.92 41.00 3hhc s ASP 79 CO 0.59 -0.37 1.81 -0.65 0.52 0.00 0.00 175.17 177.07 3hhc h PRO 80 N 7.66 0.70 -0.76 4.34 0.11 -1.70 -0.52 132.00 141.82 3hhc h PRO 80 Ca -0.09 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.93 3hhc h PRO 80 Cb 0.99 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.91 3hhc h PRO 80 CO 0.46 0.46 0.29 0.00 -0.21 0.00 0.00 178.00 179.01 3hhc h ALA 81 N 1.38 1.08 0.00 -0.75 0.00 -1.95 -1.10 119.26 117.92 3hhc h ALA 81 Ca 0.33 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hhc h ALA 81 Cb 0.24 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3hhc h ALA 81 CO -0.20 0.65 0.00 1.25 0.00 0.00 0.00 179.25 180.95 3hhc h LEU 82 N 1.11 0.00 -0.76 0.00 5.85 -1.73 -3.06 115.31 116.72 3hhc h LEU 82 Ca 0.25 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.87 3hhc h LEU 82 Cb 0.22 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3hhc h LEU 82 CO -0.02 0.00 -0.49 1.23 -0.34 0.00 0.00 178.44 178.82 3hhc h GLY 83 N 2.96 0.00 2.00 3.75 0.00 0.22 -3.07 103.07 108.92 3hhc h GLY 83 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3hhc h GLY 83 CO 0.00 0.00 -0.21 -0.55 0.00 0.00 0.00 176.54 175.78 3hhc h ASP 84 N 0.00 0.00 0.35 0.19 5.19 -1.41 0.25 116.42 120.99 3hhc h ASP 84 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3hhc h ASP 84 Cb 1.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.55 3hhc h ASP 84 CO 0.06 0.21 -0.99 0.52 -3.12 0.00 0.00 179.24 175.92 3hhc n VAL 85 N -3.52 0.11 0.28 -1.35 0.31 -1.18 -4.12 118.33 108.86 3hhc n VAL 85 Ca -0.01 -0.18 0.09 0.00 -0.01 0.00 0.00 64.34 64.24 3hhc n VAL 85 Cb 0.36 0.34 -0.14 0.00 -0.91 0.00 0.00 33.84 33.50 3hhc n VAL 85 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3hhc n LEU 86 N -1.83 0.29 -0.05 7.52 4.32 -0.99 -4.40 117.00 121.86 3hhc n LEU 86 Ca 0.03 -0.16 -0.14 0.00 -0.02 0.00 0.00 56.01 55.71 3hhc n LEU 86 Cb 0.41 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.11 3hhc n LEU 86 CO 0.40 0.07 0.50 0.44 -1.22 0.00 0.00 177.39 177.59 3hhc h ASP 87 N 0.00 -1.68 -0.15 -1.43 3.45 -1.11 0.13 116.42 115.63 3hhc h ASP 87 Ca 0.00 0.21 -0.09 0.00 0.43 0.00 0.00 57.03 57.57 3hhc h ASP 87 Cb 0.74 0.67 0.00 0.00 -0.56 0.00 0.00 39.33 40.17 3hhc h ASP 87 CO 0.00 -0.44 -0.27 -0.61 -1.57 0.00 0.00 179.24 176.35 3hhc h GLN 88 N -0.50 0.44 -0.76 3.56 5.75 -1.84 -2.75 115.11 119.01 3hhc h GLN 88 Ca 0.04 -0.28 0.10 0.00 -0.15 0.00 0.00 58.65 58.36 3hhc h GLN 88 Cb 0.62 0.03 -0.07 0.00 1.07 0.00 0.00 27.48 29.13 3hhc h GLN 88 CO -0.46 0.88 0.40 -1.35 -2.65 0.00 0.00 178.83 175.65 3hhc h PRO 89 N 0.05 0.66 -0.65 -2.39 0.11 -1.77 0.07 132.00 128.09 3hhc h PRO 89 Ca 0.01 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 3hhc h PRO 89 Cb 0.86 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.79 3hhc h PRO 89 CO 0.06 0.43 0.35 -0.07 -0.21 0.00 0.00 178.00 178.56 3hhc h LEU 90 N 0.68 0.82 -0.06 2.35 3.38 -0.75 0.71 115.31 122.43 3hhc h LEU 90 Ca 0.37 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.26 3hhc h LEU 90 Cb 0.38 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3hhc h LEU 90 CO -0.26 0.69 -0.07 -0.74 0.09 0.00 0.00 178.44 178.14 3hhc h HIS 91 N 0.89 -0.18 -0.72 1.13 2.76 -0.95 0.22 115.15 118.30 3hhc h HIS 91 Ca 0.23 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.44 3hhc h HIS 91 Cb 0.06 0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.07 3hhc h HIS 91 CO -0.01 -0.11 0.47 1.15 -1.30 0.00 0.00 177.93 178.13 3hhc h THR 92 N -0.10 1.11 -0.54 6.26 2.02 -0.76 -1.08 112.91 119.81 3hhc h THR 92 Ca 0.05 -0.30 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 3hhc h THR 92 Cb 0.17 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 3hhc h THR 92 CO -0.12 0.16 0.10 0.25 0.37 0.00 0.00 175.52 176.27 3hhc h LEU 93 N 0.87 0.80 -0.27 2.58 5.85 0.09 -1.32 115.31 123.91 3hhc h LEU 93 Ca 0.28 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 3hhc h LEU 93 Cb 0.05 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3hhc h LEU 93 CO -0.08 0.80 -0.01 0.45 -0.34 0.00 0.00 178.44 179.27 3hhc h HIS 94 N 0.81 0.53 -0.69 1.25 3.86 -0.09 -2.75 115.15 118.06 3hhc h HIS 94 Ca 0.17 -0.10 0.07 0.00 -1.16 0.00 0.00 60.37 59.36 3hhc h HIS 94 Cb 0.35 -0.14 -0.06 0.00 1.06 0.00 0.00 27.41 28.62 3hhc h HIS 94 CO 0.02 0.64 0.37 1.25 0.86 0.00 0.00 177.93 181.08 3hhc h HIS 95 N 0.26 0.68 -0.01 2.45 -0.00 -0.84 0.15 115.15 117.84 3hhc h HIS 95 Ca 0.08 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.48 3hhc h HIS 95 Cb 0.44 -0.20 -0.00 0.00 -0.00 0.00 0.00 27.41 27.64 3hhc h HIS 95 CO 0.04 0.29 -0.01 0.82 -0.00 0.00 0.00 177.93 179.07 3hhc h ILE 96 N 0.67 0.97 -0.49 6.26 2.04 -1.22 -0.82 117.51 124.92 3hhc h ILE 96 Ca 0.32 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 66.08 3hhc h ILE 96 Cb 0.26 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3hhc h ILE 96 CO -0.22 0.00 -0.11 0.25 0.00 0.00 0.00 178.15 178.08 3hhc h LEU 97 N -0.01 0.94 0.06 1.44 5.85 -1.14 -0.94 115.31 121.50 3hhc h LEU 97 Ca 0.01 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.38 3hhc h LEU 97 Cb 0.02 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 3hhc h LEU 97 CO -0.02 1.08 -0.08 -1.28 -0.34 0.00 0.00 178.44 177.80 3hhc h SER 98 N 0.78 -0.22 -0.66 1.25 0.87 -0.64 -1.47 113.55 113.47 3hhc h SER 98 Ca 0.12 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.76 3hhc h SER 98 Cb 0.66 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.66 3hhc h SER 98 CO 0.05 -0.13 0.43 1.56 -0.53 0.00 0.00 176.83 178.21 3hhc h GLN 99 N -0.17 0.68 -0.10 2.24 1.08 -1.05 -1.85 115.11 115.95 3hhc h GLN 99 Ca 0.01 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3hhc h GLN 99 Cb 0.18 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 3hhc h GLN 99 CO -0.04 0.45 0.04 1.25 -0.95 0.00 0.00 178.83 179.58 3hhc h LEU 100 N 0.70 0.13 -0.24 1.46 7.12 -0.38 -2.75 115.31 121.35 3hhc h LEU 100 Ca 0.28 -0.15 0.00 0.00 0.13 0.00 0.00 57.88 58.13 3hhc h LEU 100 Cb 0.21 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.30 3hhc h LEU 100 CO -0.08 0.25 0.00 0.54 -0.13 0.00 0.00 178.44 179.01 3hhc n ARG 101 N -4.93 0.23 0.00 1.25 1.74 -0.63 -2.79 116.66 111.52 3hhc n ARG 101 Ca -0.06 0.28 0.13 0.00 -0.77 0.00 0.00 57.85 57.43 3hhc n ARG 101 Cb 0.11 -1.81 0.36 0.00 -1.02 0.00 0.00 32.46 30.10 3hhc n ARG 101 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hhc n ALA 102 N -1.77 3.19 -0.52 7.54 0.00 -0.72 -4.17 120.51 124.06 3hhc n ALA 102 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3hhc n ALA 102 Cb 0.35 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3hhc n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hhc n ILE 104 N -0.21 1.18 -0.25 0.00 2.08 -1.12 -5.07 119.36 115.97 3hhc n ILE 104 Ca 0.00 -0.48 0.00 0.00 0.56 0.00 0.00 62.75 62.83 3hhc n ILE 104 Cb 0.35 -1.17 0.00 0.00 -0.75 0.00 0.00 39.64 38.07 3hhc n ILE 104 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3hhc n GLN 105 N -3.06 0.00 0.00 0.38 10.64 -1.26 -5.14 117.38 118.94 3hhc n GLN 105 Ca -0.36 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 54.81 3hhc n GLN 105 Cb 0.90 -3.80 0.00 0.00 -0.86 0.00 0.00 30.24 26.49 3hhc n GLN 105 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 3hhc n ARG 117 N -2.00 0.00 -0.14 2.61 0.00 -1.26 -5.20 116.66 110.67 3hhc n ARG 117 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.85 57.91 3hhc n ARG 117 Cb 0.00 -0.31 0.14 0.00 0.00 0.00 0.00 32.46 32.28 3hhc n ARG 117 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 3hhc n LEU 118 N 0.00 2.74 -0.00 6.15 -0.00 -1.26 -4.30 117.00 120.33 3hhc n LEU 118 Ca 0.00 -1.68 0.06 0.00 -0.00 0.00 0.00 56.01 54.39 3hhc n LEU 118 Cb 0.00 -0.18 -0.08 0.00 -0.00 0.00 0.00 43.42 43.16 3hhc n LEU 118 CO 0.00 0.64 -0.33 1.41 -0.00 0.00 0.00 177.39 179.11 3hhc n HIS 119 N 0.67 0.00 0.21 1.47 -0.00 -1.26 -2.67 115.22 113.64 3hhc n HIS 119 Ca 0.11 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.92 3hhc n HIS 119 Cb 0.41 -0.14 0.40 0.00 -0.00 0.00 0.00 29.99 30.66 3hhc n HIS 119 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 3hhc h HIS 120 N 0.00 0.00 0.07 4.41 -0.00 -2.00 -2.11 115.15 115.52 3hhc h HIS 120 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 60.37 60.01 3hhc h HIS 120 Cb 0.43 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.80 3hhc h HIS 120 CO 0.00 0.28 -2.08 1.87 -0.00 0.00 0.00 177.93 177.99 3hhc n TRP 121 N -3.42 0.82 0.30 5.26 -0.00 -1.26 -3.80 117.44 115.34 3hhc n TRP 121 Ca 0.00 0.20 -0.16 0.00 -0.00 0.00 0.00 57.50 57.54 3hhc n TRP 121 Cb 0.47 -1.10 -0.08 0.00 -0.00 0.00 0.00 31.31 30.59 3hhc n TRP 121 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 3hhc h LEU 122 N -0.13 -0.66 -1.59 5.87 7.12 -1.57 -2.43 115.31 121.92 3hhc h LEU 122 Ca -0.48 -0.03 0.24 0.00 0.13 0.00 0.00 57.88 57.74 3hhc h LEU 122 Cb 1.90 0.17 -0.07 0.00 -0.53 0.00 0.00 40.66 42.13 3hhc h LEU 122 CO -0.02 -0.35 0.65 -0.74 -0.13 0.00 0.00 178.44 177.85 3hhc h HIS 123 N -0.96 0.43 -0.49 1.25 2.76 -1.60 0.19 115.15 116.74 3hhc h HIS 123 Ca -0.08 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.04 3hhc h HIS 123 Cb 0.65 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.46 3hhc h HIS 123 CO -0.00 0.08 0.05 -0.09 -1.30 0.00 0.00 177.93 176.66 3hhc h ARG 124 N 0.30 0.83 0.00 5.26 1.12 -1.60 -1.63 114.38 118.66 3hhc h ARG 124 Ca 0.51 -0.24 0.00 0.00 -1.11 0.00 0.00 59.98 59.14 3hhc h ARG 124 Cb 1.46 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 31.33 3hhc h ARG 124 CO -0.17 0.85 0.00 1.28 -3.11 0.00 0.00 179.97 178.82 3hhc n LEU 125 N -4.39 0.07 0.08 3.80 4.77 0.63 -1.64 117.00 120.32 3hhc n LEU 125 Ca 0.01 0.52 -0.23 0.00 -0.03 0.00 0.00 56.01 56.28 3hhc n LEU 125 Cb 0.28 -0.52 -0.15 0.00 -2.33 0.00 0.00 43.42 40.70 3hhc n LEU 125 CO 0.41 -0.37 -0.38 1.56 -1.33 0.00 0.00 177.39 177.28 3hhc h GLN 126 N 0.00 0.40 -1.96 3.23 4.20 -0.80 -3.34 115.11 116.83 3hhc h GLN 126 Ca 0.00 -0.68 -0.27 0.00 0.06 0.00 0.00 58.65 57.76 3hhc h GLN 126 Cb 0.18 0.25 -0.10 0.00 0.30 0.00 0.00 27.48 28.12 3hhc h GLN 126 CO 0.00 1.32 -0.05 0.39 -0.67 0.00 0.00 178.83 179.83 3hhc n GLU 127 N -3.74 1.99 0.00 1.46 4.71 -0.65 -4.23 120.64 120.17 3hhc n GLU 127 Ca -0.22 -1.33 -0.04 0.00 -0.01 0.00 0.00 57.16 55.57 3hhc n GLU 127 Cb 1.02 -1.90 -0.01 0.00 -1.01 0.00 0.00 31.44 29.55 3hhc n GLU 127 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3hhc n ALA 128 N 1.73 2.55 0.97 0.62 0.00 -1.23 -4.12 120.51 121.02 3hhc n ALA 128 Ca 0.39 -0.21 0.07 0.00 0.00 0.00 0.00 53.44 53.69 3hhc n ALA 128 Cb 0.73 0.27 0.42 0.00 0.00 0.00 0.00 19.45 20.88 3hhc n ALA 128 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hhc n PRO 129 N -3.57 0.48 0.00 0.00 -0.02 -1.26 -1.63 135.00 129.00 3hhc n PRO 129 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 3hhc n PRO 129 Cb 0.27 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 3hhc n PRO 129 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3hhc n LYS 130 N -0.96 0.00 0.00 -0.52 2.85 -1.26 -4.74 118.16 113.53 3hhc n LYS 130 Ca 0.11 -0.51 0.00 0.00 -1.05 0.00 0.00 58.31 56.86 3hhc n LYS 130 Cb 0.05 -0.81 0.00 0.00 -0.65 0.00 0.00 35.03 33.62 3hhc n LYS 130 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3hhc n LYS 131 N -0.08 2.06 -4.23 -1.58 4.81 -0.95 -5.08 118.16 113.12 3hhc n LYS 131 Ca 0.00 -0.10 -0.16 0.00 -0.87 0.00 0.00 58.31 57.18 3hhc n LYS 131 Cb 0.16 -0.45 -0.11 0.00 0.02 0.00 0.00 35.03 34.66 3hhc n LYS 131 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3hhc s GLU 132 N -0.32 0.99 0.49 1.64 0.41 -0.65 -4.99 118.70 116.27 3hhc s GLU 132 Ca 0.00 -1.26 -0.19 0.00 -0.41 0.00 0.00 54.97 53.11 3hhc s GLU 132 Cb 0.00 -0.75 -0.09 0.00 -1.78 0.00 0.00 34.13 31.51 3hhc s GLU 132 CO 0.00 0.13 0.99 -1.54 -0.49 0.00 0.00 175.26 174.35 3hhc s SER 133 N -2.60 6.60 0.24 -0.19 1.04 -1.26 -4.81 113.70 112.71 3hhc s SER 133 Ca 0.10 1.71 -0.05 0.00 0.48 0.00 0.00 55.95 58.18 3hhc s SER 133 Cb -0.03 -2.53 0.44 0.00 0.10 0.00 0.00 66.02 63.99 3hhc s SER 133 CO 0.02 -0.60 1.70 -0.65 0.98 0.00 0.00 173.24 174.69 3hhc h PRO 134 N 1.35 0.32 -0.87 4.02 0.11 -1.97 -0.48 132.00 134.48 3hhc h PRO 134 Ca -0.48 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.62 3hhc h PRO 134 Cb 1.19 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 3hhc h PRO 134 CO 0.60 0.21 0.58 0.78 -0.21 0.00 0.00 178.00 179.96 3hhc h GLY 135 N 0.33 1.24 1.00 -0.55 0.00 -1.93 0.22 103.07 103.38 3hhc h GLY 135 Ca 0.40 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 3hhc h GLY 135 CO -0.45 0.43 -0.25 0.00 0.00 0.00 0.00 176.54 176.27 3hhc h LEU 137 N -0.70 0.57 -0.71 0.00 3.38 -1.06 0.11 115.31 116.90 3hhc h LEU 137 Ca -0.07 0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3hhc h LEU 137 Cb 0.54 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3hhc h LEU 137 CO 0.12 0.36 0.44 -0.08 0.09 0.00 0.00 178.44 179.37 3hhc h GLU 138 N 0.71 0.84 -0.43 1.13 4.81 -0.80 -0.83 114.58 120.01 3hhc h GLU 138 Ca 0.32 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.39 3hhc h GLU 138 Cb 0.23 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3hhc h GLU 138 CO -0.20 0.55 -0.19 0.00 -0.73 0.00 0.00 179.01 178.44 3hhc h ALA 139 N 1.31 0.86 0.79 2.92 0.00 -0.24 -2.00 119.26 122.91 3hhc h ALA 139 Ca 0.29 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3hhc h ALA 139 Cb 0.03 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.67 3hhc h ALA 139 CO -0.11 0.64 -0.38 0.77 0.00 0.00 0.00 179.25 180.16 3hhc h SER 140 N 0.73 -0.90 0.31 0.00 0.02 -0.00 -1.62 113.55 112.08 3hhc h SER 140 Ca 0.11 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 3hhc h SER 140 Cb 0.71 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 3hhc h SER 140 CO 0.05 -0.64 -0.19 -0.37 -1.14 0.00 0.00 176.83 174.55 3hhc h VAL 141 N -1.09 0.88 0.06 2.27 -1.51 -1.23 -2.15 116.25 113.48 3hhc h VAL 141 Ca -0.11 -0.70 -0.00 0.00 -1.23 0.00 0.00 66.70 64.66 3hhc h VAL 141 Cb 0.82 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.39 3hhc h VAL 141 CO 0.18 0.18 -0.03 0.74 -1.23 0.00 0.00 177.57 177.41 3hhc h THR 142 N 0.00 1.22 -0.16 7.19 2.02 -1.14 0.15 112.91 122.18 3hhc h THR 142 Ca -0.00 -1.06 -0.07 0.00 0.77 0.00 0.00 66.41 66.04 3hhc h THR 142 Cb 0.39 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 3hhc h THR 142 CO 0.02 0.26 -0.22 -0.26 0.37 0.00 0.00 175.52 175.69 3hhc h PHE 143 N -0.57 0.31 0.00 3.16 0.05 -1.22 -2.88 116.94 115.79 3hhc h PHE 143 Ca -0.01 -0.05 0.00 0.00 3.82 0.00 0.00 57.97 61.73 3hhc h PHE 143 Cb 0.49 -0.08 0.00 0.00 2.00 0.00 0.00 35.95 38.36 3hhc h PHE 143 CO 0.08 0.50 -0.29 -0.97 -0.18 0.00 0.00 178.31 177.45 3hhc h ASN 144 N 0.26 0.00 -0.29 2.17 -1.24 -1.37 -3.39 115.58 111.72 3hhc h ASN 144 Ca 0.04 -0.06 0.04 0.00 0.71 0.00 0.00 56.30 57.03 3hhc h ASN 144 Cb 0.54 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 39.51 3hhc h ASN 144 CO 0.04 0.03 -0.53 0.25 -1.29 0.00 0.00 177.43 175.92 3hhc h LEU 145 N 0.00 -1.75 -1.43 0.34 6.46 -0.73 -0.43 115.31 117.77 3hhc h LEU 145 Ca 0.00 0.22 0.04 0.00 -0.12 0.00 0.00 57.88 58.03 3hhc h LEU 145 Cb 0.82 0.71 -0.04 0.00 -0.73 0.00 0.00 40.66 41.42 3hhc h LEU 145 CO 0.00 -0.43 0.43 0.15 -0.62 0.00 0.00 178.44 177.96 3hhc h PHE 146 N -0.47 0.71 0.00 1.25 3.04 -1.78 -0.59 116.94 119.10 3hhc h PHE 146 Ca 0.06 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.94 3hhc h PHE 146 Cb 0.63 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.89 3hhc h PHE 146 CO -0.65 0.40 -0.45 -0.09 -2.02 0.00 0.00 178.31 175.50 3hhc h ARG 147 N 0.72 0.00 -0.09 1.11 2.43 -1.49 -2.22 114.38 114.85 3hhc h ARG 147 Ca 0.27 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.38 3hhc h ARG 147 Cb 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3hhc h ARG 147 CO -0.08 0.45 -0.17 1.25 -1.51 0.00 0.00 179.97 179.91 3hhc h LEU 148 N 0.00 0.30 -0.17 3.80 6.46 0.42 0.24 115.31 126.35 3hhc h LEU 148 Ca -0.00 -0.56 -0.14 0.00 -0.12 0.00 0.00 57.88 57.06 3hhc h LEU 148 Cb 0.85 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 3hhc h LEU 148 CO 0.06 0.80 -0.43 -0.07 -0.62 0.00 0.00 178.44 178.17 3hhc h LEU 149 N -0.19 0.67 0.00 2.25 3.38 -1.31 -0.41 115.31 119.71 3hhc h LEU 149 Ca 0.00 -0.58 -0.36 0.00 0.09 0.00 0.00 57.88 57.04 3hhc h LEU 149 Cb 0.75 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 3hhc h LEU 149 CO 0.04 1.13 -2.25 0.35 0.09 0.00 0.00 178.44 177.79 3hhc n THR 150 N -4.24 1.45 0.00 0.22 -2.24 -0.84 -4.20 114.28 104.44 3hhc n THR 150 Ca -0.07 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 3hhc n THR 150 Cb 0.55 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 3hhc n THR 150 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3hhc n ARG 151 N -2.88 0.00 0.03 -0.78 3.00 -0.91 -4.07 116.66 111.05 3hhc n ARG 151 Ca -0.31 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.43 3hhc n ARG 151 Cb 1.12 -0.41 -0.04 0.00 0.00 0.00 0.00 32.46 33.12 3hhc n ARG 151 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 3hhc h ASP 152 N 0.00 -0.88 -0.05 6.15 3.32 -1.06 0.33 116.42 124.23 3hhc h ASP 152 Ca 0.00 0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.20 3hhc h ASP 152 Cb 0.00 0.37 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 3hhc h ASP 152 CO 0.00 -0.34 -0.11 0.25 -1.72 0.00 0.00 179.24 177.32 3hhc h LEU 153 N -0.39 -0.31 -0.95 1.55 5.85 -1.27 -1.66 115.31 118.12 3hhc h LEU 153 Ca 0.08 0.05 0.17 0.00 0.84 0.00 0.00 57.88 59.02 3hhc h LEU 153 Cb 0.52 0.14 -0.10 0.00 0.37 0.00 0.00 40.66 41.59 3hhc h LEU 153 CO -0.30 -0.15 0.55 -1.13 -0.34 0.00 0.00 178.44 177.08 3hhc h ASN 154 N -0.16 0.72 -0.18 1.25 -0.73 -1.63 -0.71 115.58 114.15 3hhc h ASN 154 Ca 0.06 0.09 0.03 0.00 1.87 0.00 0.00 56.30 58.34 3hhc h ASN 154 Cb 0.23 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.76 3hhc h ASN 154 CO -0.14 0.29 0.02 0.00 -0.37 0.00 0.00 177.43 177.23 3hhc h VAL 156 N 0.09 1.30 0.00 0.00 2.07 -0.94 -2.72 116.25 116.06 3hhc h VAL 156 Ca 0.08 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.24 3hhc h VAL 156 Cb 0.08 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3hhc h VAL 156 CO -0.12 0.43 0.00 0.00 0.02 0.00 0.00 177.57 177.90 3hhc n ALA 157 N -2.47 1.23 0.68 1.67 0.00 -0.33 -1.96 120.51 119.32 3hhc n ALA 157 Ca -0.04 0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.55 3hhc n ALA 157 Cb 0.43 -1.19 -0.11 0.00 0.00 0.00 0.00 19.45 18.58 3hhc n ALA 157 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hhc n SER 158 N -1.82 0.83 0.00 0.00 7.64 -0.79 -4.38 113.62 115.10 3hhc n SER 158 Ca 0.01 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.15 3hhc n SER 158 Cb 0.07 1.17 0.00 0.00 -1.01 0.00 0.00 64.21 64.44 3hhc n SER 158 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hhc n GLY 159 N 1.43 3.58 0.05 0.23 0.00 -0.83 -2.89 105.19 106.75 3hhc n GLY 159 Ca 0.02 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.07 3hhc n GLY 159 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hhc n ASP 160 N 5.02 0.21 -1.99 1.61 10.43 -1.26 -1.87 116.55 128.71 3hhc n ASP 160 Ca 0.00 0.56 -0.23 0.00 2.57 0.00 0.00 54.79 57.69 3hhc n ASP 160 Cb 0.00 -0.60 0.13 0.00 1.84 0.00 0.00 41.12 42.49 3hhc n ASP 160 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hhc n LEU 161 N -1.75 6.22 -4.01 0.64 -0.00 -1.14 -4.75 117.00 112.20 3hhc n LEU 161 Ca 0.02 -4.04 -0.31 0.00 -0.00 0.00 0.00 56.01 51.68 3hhc n LEU 161 Cb 0.14 -0.77 -0.15 0.00 -0.00 0.00 0.00 43.42 42.64 3hhc n LEU 161 CO 0.12 1.39 -0.29 0.00 -0.00 0.00 0.00 177.39 178.61